CID 5399093

Pyruvic acid benzoylhydrazone

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

C/C(=N\NC(=O)C1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C10H10N2O3/c1-7(10(14)15)11-12-9(13)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)/b11-7+

InChIKey

MPSXVYIPEZYZCR-YRNVUSSQSA-N

Compound name

(2E)-2-(benzoylhydrazinylidene)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 206.06914 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.07642	143.7
[M+Na]+	229.05836	149.0
[M-H]-	205.06186	147.3
[M+NH4]+	224.10296	161.4
[M+K]+	245.03230	148.1
[M+H-H2O]+	189.06640	136.9
[M+HCOO]-	251.06734	168.3
[M+CH3COO]-	265.08299	189.0
[M+Na-2H]-	227.04381	148.2
[M]+	206.06859	142.5
[M]-	206.06969	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe